N-(2-adamantyl)-3-amino-N,2-dimethylpropanamide

C15H26N2O — CID 62670869

IUPACN-(2-adamantyl)-3-amino-N,2-dimethylpropanamide
SMILESCC(CN)C(=O)N(C)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H26N2O/c1-9(8-16)15(18)17(2)14-12-4-10-3-11(6-12)7-13(14)5-10/h9-14H,3-8,16H2,1-2H3
InChIKeyTUACCMCJNVNYND-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.86
Rot. Bonds3

About N-(2-adamantyl)-3-amino-N,2-dimethylpropanamide

N-(2-adamantyl)-3-amino-N,2-dimethylpropanamide (PubChem CID 62670869) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(2-adamantyl)-3-amino-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3-amino-N,2-dimethylpropanamide
PubChem CID62670869
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(2-adamantyl)-3-amino-N,2-dimethylpropanamide
SMILESCC(CN)C(=O)N(C)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H26N2O/c1-9(8-16)15(18)17(2)14-12-4-10-3-11(6-12)7-13(14)5-10/h9-14H,3-8,16H2,1-2H3
InChIKeyTUACCMCJNVNYND-UHFFFAOYSA-N
XLogP1.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3-amino-N,2-dimethylpropanamide?
The IUPAC name of N-(2-adamantyl)-3-amino-N,2-dimethylpropanamide (CID 62670869) is N-(2-adamantyl)-3-amino-N,2-dimethylpropanamide.
What is the SMILES notation for N-(2-adamantyl)-3-amino-N,2-dimethylpropanamide?
The canonical SMILES for N-(2-adamantyl)-3-amino-N,2-dimethylpropanamide is CC(CN)C(=O)N(C)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-3-amino-N,2-dimethylpropanamide?
The InChIKey is TUACCMCJNVNYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-9(8-16)15(18)17(2)14-12-4-10-3-11(6-12)7-13(14)5-10/h9-14H,3-8,16H2,1-2H3.
What are the key properties of N-(2-adamantyl)-3-amino-N,2-dimethylpropanamide?
N-(2-adamantyl)-3-amino-N,2-dimethylpropanamide has a molecular weight of 250.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3-amino-N,2-dimethylpropanamide is sourced from PubChem (CID 62670869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).